data_global _chemical_name_mineral 'Clinozoisite' loop_ _publ_author_name 'Comodi P' 'Zanazzi P F' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 61 _journal_page_last 68 _publ_section_title ; The pressure behavior of clinozoisite and zoisite: An X-ray diffraction study Sample: P = 0.5 kbar ; _database_code_amcsd 0001856 _chemical_formula_sum 'Ca2 Si3 Al2.79 Fe.21 O13' _cell_length_a 8.874 _cell_length_b 5.593 _cell_length_c 10.139 _cell_angle_alpha 90 _cell_angle_beta 115.4 _cell_angle_gamma 90 _cell_volume 454.578 _exptl_crystal_density_diffrn 3.356 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca1 0.76040 0.75000 0.15420 1.00000 0.00980 Ca2 0.60720 0.75000 0.42360 1.00000 0.01360 Si1 0.33880 0.75000 0.04810 1.00000 0.00570 Si2 0.67880 0.25000 0.27530 1.00000 0.00580 Si3 0.18140 0.75000 0.31550 1.00000 0.00550 Al1 0.00000 0.00000 0.00000 1.00000 0.00570 Al2 0.00000 0.00000 0.50000 1.00000 0.00550 Al3 0.28910 0.25000 0.22270 0.79000 0.00740 Fe3 0.28910 0.25000 0.22270 0.21000 0.00740 O1 0.23300 0.99530 0.04200 1.00000 0.00800 O2 0.30400 0.98400 0.35500 1.00000 0.00800 O3 0.79000 0.01280 0.34600 1.00000 0.01000 O4 0.05200 0.25000 0.13000 1.00000 0.00700 O5 0.03700 0.75000 0.14000 1.00000 0.00900 O6 0.06200 0.75000 0.40300 1.00000 0.00500 O7 0.51900 0.75000 0.18100 1.00000 0.01200 O8 0.51300 0.25000 0.29900 1.00000 0.01000 O9 0.64000 0.25000 0.10600 1.00000 0.01900 O10 0.07900 0.25000 0.42600 1.00000 0.00800